Applications of density functional theory to corrosion and corrosion prevention of metals: A review

Abstract Recently, density functional theory (DFT) has been a powerful tool to model the corrosion behaviors of materials, provide insights into the corrosion mechanisms, predict the corrosion performance of materials, and design the corrosion‐resistant alloys and organic inhibitors. DFT enables cor...

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Bibliographic Details
Main Authors: Dihao Chen, Wenjie Zhou, Yucheng Ji, Chaofang Dong
Format: Article
Language:English
Published: Wiley-VCH 2025-03-01
Series:Materials Genome Engineering Advances
Subjects:
Online Access:https://doi.org/10.1002/mgea.83
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